5LT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
O3 | S1 | sing | 1.52Å | 1.51Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
O4 | S2 | sing | 1.52Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
S1 | O12 | doub | 1.42Å | 1.51Å | |
S1 | O11 | doub | 1.42Å | 1.51Å | |
S1 | O13 | sing | 1.52Å | 1.51Å | |
S2 | O22 | doub | 1.42Å | 1.51Å | |
S2 | O21 | doub | 1.42Å | 1.51Å | |
S2 | O23 | sing | 1.52Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C1 | O1 | sing | 1.43Å | 1.38Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O13 | H13 | sing | 0.97Å | 0.95Å | |
O23 | H23 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C1 | C2 | 110.3° | 109.4° |
C1 | O5 | C5 | 112.9° | 114.1° |
O5 | C1 | H1 | 109.5° | 109.5° |
O5 | C1 | O1 | 108.2° | 109.5° |
C1 | C2 | C3 | 108.9° | 109.1° |
C1 | C2 | O2 | 110.1° | 109.5° |
C2 | C1 | H1 | 108.3° | 109.5° |
C1 | C2 | H2 | 108.7° | 109.5° |
C2 | C1 | O1 | 110.2° | 109.5° |
C3 | C2 | O2 | 110.1° | 109.5° |
C2 | C3 | O3 | 109.5° | 109.5° |
C2 | C3 | C4 | 109.6° | 109.1° |
C3 | C2 | H2 | 108.7° | 109.5° |
C2 | C3 | H3 | 108.9° | 109.5° |
O2 | C2 | H2 | 110.3° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.1° |
O3 | C3 | C4 | 109.6° | 109.5° |
C3 | O3 | S1 | 112.9° | 114.0° |
O3 | C3 | H3 | 110.4° | 109.5° |
C3 | C4 | C5 | 110.0° | 109.1° |
C3 | C4 | O4 | 109.5° | 109.5° |
C4 | C3 | H3 | 108.9° | 109.6° |
C3 | C4 | H4 | 108.8° | 109.5° |
O3 | S1 | O12 | 109.3° | 106.4° |
O3 | S1 | O11 | 109.7° | 106.4° |
O3 | S1 | O13 | 109.6° | 107.2° |
C5 | C4 | O4 | 109.6° | 109.5° |
C4 | C5 | O5 | 110.1° | 109.4° |
C4 | C5 | C6 | 115.2° | 109.5° |
C5 | C4 | H4 | 108.7° | 109.5° |
C4 | C5 | H5 | 107.5° | 109.5° |
C4 | O4 | S2 | 112.9° | 114.0° |
O4 | C4 | H4 | 110.3° | 109.6° |
O4 | S2 | O22 | 109.7° | 106.4° |
O4 | S2 | O21 | 109.4° | 106.4° |
O4 | S2 | O23 | 109.6° | 107.2° |
O5 | C5 | C6 | 107.5° | 109.5° |
O5 | C5 | H5 | 108.7° | 109.5° |
C5 | C6 | O6 | 111.9° | 109.5° |
C6 | C5 | H5 | 107.6° | 109.5° |
C5 | C6 | H61 | 108.8° | 109.4° |
C5 | C6 | H62 | 108.8° | 109.5° |
O6 | C6 | H61 | 108.9° | 109.5° |
O6 | C6 | H62 | 108.9° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
O12 | S1 | O11 | 109.3° | 123.2° |
O12 | S1 | O13 | 109.4° | 106.4° |
O11 | S1 | O13 | 109.5° | 106.4° |
S1 | O13 | H13 | 109.5° | 114.0° |
O22 | S2 | O21 | 109.3° | 123.1° |
O22 | S2 | O23 | 109.6° | 106.4° |
O21 | S2 | O23 | 109.3° | 106.4° |
S2 | O23 | H23 | 109.5° | 114.0° |
H1 | C1 | O1 | 110.3° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C1 | C2 | H1 | 119.8° | 120.0° |
O5 | C1 | C2 | O1 | 119.4° | 120.0° |
O5 | C1 | C2 | C3 | 58.8° | 57.6° |
O5 | C1 | C2 | O2 | 62.1° | 177.5° |
C1 | O5 | C5 | C4 | 59.7° | 61.1° |
C1 | O5 | C5 | C6 | 66.6° | 178.9° |
O5 | C1 | H1 | O1 | 119.0° | 120.0° |
O5 | C1 | C2 | H2 | 177.0° | 62.3° |
C1 | O5 | C5 | H5 | 177.2° | 58.9° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
C1 | C2 | C3 | O2 | 120.9° | 119.9° |
C1 | C2 | C3 | H2 | 118.2° | 119.9° |
C1 | C2 | O2 | H2 | 119.9° | 120.2° |
C1 | C2 | C3 | O3 | 63.8° | 176.9° |
C1 | C2 | C3 | C4 | 56.4° | 57.0° |
C2 | C1 | O5 | C5 | 61.5° | 61.1° |
C2 | C1 | H1 | O1 | 120.7° | 120.1° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | H3 | 175.4° | 63.0° |
C2 | C1 | O1 | HO1 | 59.3° | 180.0° |
C3 | C2 | O2 | H2 | 119.9° | 120.2° |
C2 | C3 | O3 | C4 | 120.2° | 119.6° |
C2 | C3 | O3 | H3 | 119.9° | 120.1° |
C2 | C3 | C4 | H3 | 119.0° | 119.9° |
C2 | C3 | O3 | S1 | 97.9° | 95.0° |
C2 | C3 | C4 | C5 | 55.3° | 57.0° |
C2 | C3 | C4 | O4 | 65.2° | 176.9° |
C3 | C2 | C1 | H1 | 61.0° | 177.6° |
C3 | C2 | O2 | HO2 | 59.9° | 179.6° |
C2 | C3 | C4 | H4 | 174.2° | 62.9° |
C3 | C2 | C1 | O1 | 178.2° | 62.4° |
O2 | C2 | C3 | O3 | 175.3° | 63.2° |
O2 | C2 | C3 | C4 | 64.5° | 176.9° |
O2 | C2 | C1 | H1 | 178.1° | 62.5° |
O2 | C2 | C3 | H3 | 54.5° | 56.9° |
O2 | C2 | C1 | O1 | 57.3° | 57.5° |
O3 | C3 | C4 | H3 | 120.9° | 120.2° |
O3 | C3 | C4 | C5 | 64.8° | 176.8° |
O3 | C3 | C4 | O4 | 174.7° | 63.3° |
C3 | O3 | S1 | O12 | 177.2° | 38.5° |
C3 | O3 | S1 | O11 | 63.0° | 171.5° |
C3 | O3 | S1 | O13 | 57.3° | 75.0° |
O3 | C3 | C2 | H2 | 54.4° | 57.0° |
O3 | C3 | C4 | H4 | 54.1° | 56.9° |
C4 | C3 | O3 | S1 | 141.9° | 145.4° |
C3 | C4 | C5 | O4 | 120.4° | 119.9° |
C3 | C4 | C5 | H4 | 119.0° | 119.9° |
C3 | C4 | O4 | H4 | 119.7° | 120.1° |
C3 | C4 | O4 | S2 | 140.5° | 106.6° |
C3 | C4 | C5 | O5 | 55.8° | 57.6° |
C3 | C4 | C5 | C6 | 65.9° | 177.6° |
C4 | C3 | C2 | H2 | 174.6° | 62.9° |
C3 | C4 | C5 | H5 | 174.1° | 62.4° |
O3 | S1 | O12 | O11 | 120.1° | 123.0° |
O3 | S1 | O12 | O13 | 120.1° | 114.1° |
O3 | S1 | O11 | O13 | 120.4° | 114.1° |
S1 | O3 | C3 | H3 | 22.0° | 25.1° |
O3 | S1 | O13 | H13 | 120.4° | 179.9° |
C5 | C4 | O4 | H4 | 119.6° | 120.2° |
C5 | C4 | O4 | S2 | 98.8° | 133.7° |
C4 | C5 | O5 | C6 | 126.2° | 120.0° |
C4 | C5 | O5 | H5 | 117.5° | 120.0° |
C4 | C5 | C6 | H5 | 119.9° | 120.0° |
C4 | C5 | C6 | O6 | 162.8° | 175.4° |
C5 | C4 | C3 | H3 | 174.3° | 63.0° |
C4 | C5 | C6 | H61 | 76.8° | 55.5° |
C4 | C5 | C6 | H62 | 42.5° | 64.6° |
O4 | C4 | C5 | O5 | 64.6° | 177.5° |
O4 | C4 | C5 | C6 | 173.6° | 62.5° |
C4 | O4 | S2 | O22 | 58.7° | 39.9° |
C4 | O4 | S2 | O21 | 178.6° | 172.8° |
C4 | O4 | S2 | O23 | 61.6° | 73.7° |
O4 | C4 | C3 | H3 | 53.8° | 56.9° |
O4 | C4 | C5 | H5 | 53.6° | 57.5° |
O4 | S2 | O22 | O21 | 119.9° | 122.9° |
O4 | S2 | O22 | O23 | 120.4° | 114.1° |
O4 | S2 | O21 | O23 | 120.0° | 114.1° |
S2 | O4 | C4 | H4 | 20.8° | 13.5° |
O4 | S2 | O23 | H23 | 119.9° | 179.9° |
O5 | C5 | C6 | H5 | 116.9° | 120.0° |
O5 | C5 | C6 | O6 | 39.7° | 64.6° |
C5 | O5 | C1 | H1 | 57.6° | 178.9° |
O5 | C5 | C4 | H4 | 174.8° | 62.3° |
O5 | C5 | C6 | H61 | 160.0° | 175.4° |
O5 | C5 | C6 | H62 | 80.7° | 55.4° |
C5 | O5 | C1 | O1 | 177.9° | 58.9° |
C5 | C6 | O6 | H61 | 120.3° | 120.0° |
C5 | C6 | O6 | H62 | 120.3° | 120.0° |
C6 | C5 | C4 | H4 | 53.0° | 57.7° |
C5 | C6 | H61 | H62 | 118.9° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O6 | C6 | C5 | H5 | 77.2° | 55.4° |
O6 | C6 | H61 | H62 | 118.9° | 120.0° |
O12 | S1 | O11 | O13 | 119.8° | 122.9° |
O12 | S1 | O13 | H13 | 119.8° | 66.5° |
O11 | S1 | O13 | H13 | 0.0° | 66.4° |
O22 | S2 | O21 | O23 | 119.9° | 123.0° |
O22 | S2 | O23 | H23 | 119.7° | 66.4° |
O21 | S2 | O23 | H23 | 0.0° | 66.5° |
H1 | C1 | C2 | H2 | 57.2° | 57.7° |
H1 | C1 | O1 | HO1 | 60.2° | 60.0° |
H2 | C2 | O2 | HO2 | 60.1° | 60.2° |
H2 | C2 | C3 | H3 | 66.4° | 177.1° |
H2 | C2 | C1 | O1 | 63.6° | 177.7° |
H3 | C3 | C4 | H4 | 66.8° | 177.1° |
H4 | C4 | C5 | H5 | 67.0° | 177.7° |
H5 | C5 | C6 | H61 | 43.1° | 64.5° |
H5 | C5 | C6 | H62 | 162.4° | 175.4° |
H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
H62 | C6 | O6 | HO6 | 59.6° | 60.0° |